chempirical

4-Heptylaniline

C13H21NCAS 37529-27-4191.32 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C13H21N
Molar mass
191.32 g/mol
Exact mass
191.1674 Da
logP
3.78Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
37529-27-4
SMILES
CCCCCCCC1=CC=C(C=C1)N
InChIKey
BNEWZYZRLNNWNR-UHFFFAOYSA-N
InChI
InChI=1S/C13H21N/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7,14H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Heptylaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Dodecylaniline104-42-7100 % similar 4-Octylbenzenamine16245-79-7100 % similar 4-Hexylaniline33228-45-4100 % similar 4-Decylaniline37529-30-9100 % similar 4-Pentylaniline33228-44-396 % similar 4-Butylaniline104-13-283 % similar 4-Propylaniline2696-84-668 % similar Decylbenzene104-72-362 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(1-Ethylpropyl)-3,4-dimethylbenzenamine56038-89-2 2,6-Di-tert-butylpyridine585-48-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook